葡萄渣生物炭对双氯芬酸钾和伊维菌素的吸附：物理活化、酸功能化和高级吸附模型

IF 3 4区环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES

Water, Air, & Soil Pollution Pub Date : 2025-10-10 DOI:10.1007/s11270-025-08685-6

Nathália Favarin da Silva, Ana Carolina Ferreira Piazzi Fuhr, Fernando Machado Machado, Vivian Prá Philippi, Luis Felipe Oliveira Silva, Salah Knani, Besma Graba, Guilherme Luiz Dotto

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引用次数: 0

摘要

本研究研究了双氯芬酸钾和伊维菌素在葡萄残基磷酸功能化生物炭上的吸附。该研究提出了一种创新的方法，使用可持续和功能化吸附剂和先进的建模方法来了解这些新出现的污染物的去除机制。结果表明，吸附是通过形成多层吸附层来实现的。伊维菌素形成的层数在6到4层之间（298-328 K），伊维菌素对温度变化很敏感。同时，对于双氯芬酸钾，吸附主要发生在两层，随着温度的升高，分子组织没有明显变化。吸附能分析表明，第一层吸附能在伊维菌素的23.03 ~ 27.80 kJ mol−1之间变化，双氯芬酸的18.90 ~ 21.50 kJ mol−1之间变化，证实了吸附机制主要是物理力作用。提出的机制表明药物的去除机制之间存在微小差异。伊维菌素通过静电、偶极子-偶极子、氢键和π-π相互作用吸附。同时，通过静电、π-π EDA相互作用、n-π相互作用、氢键和常规π-π相互作用去除双氯芬酸钾。物理活化的生物炭对双氯芬酸（DCF）和伊维菌素（IVM）的最大吸附量分别为49.2 mg g毒血症和46.6 mg g毒血症。在50 mg L - 1的初始浓度下，DCF的去除效率约为70%，IVM的去除效率为55%。研究结果为功能化生物炭的吸附过程提供了深入的认识，突出了其在废水中高效去除药物的潜力，并有助于开发可持续和优化的吸附材料。图形抽象

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Adsorption of Diclofenac Potassium and Ivermectin by Grape Residue-Derived Biochar: Physical Activation, Acid Functionalization, and Advanced Adsorption Modeling

This study investigates the adsorption of diclofenac potassium and ivermectin on physically activated biochar functionalized with phosphoric acid produced from grape residues. The study presents an innovative approach that uses a sustainable and functionalized adsorbent and an advanced modeling approach to understand the removal mechanism of these emerging pollutants. The results indicate that adsorption occurs via the formation of multiple layers. The number of layers formed for ivermectin varies between 6 and 4 layers (298–328 K), with ivermectin being sensitive to temperature variations. At the same time, for diclofenac potassium, adsorption occurs mainly in two layers, with no significant changes in molecular organization with increasing temperature. The analysis of the adsorption energy revealed that the energy of the first layer varies from 23.03 to 27.80 kJ mol⁻¹ for ivermectin and from 18.90 to 21.50 kJ mol⁻¹ for diclofenac, confirming that the removal mechanism occurs predominantly by physical forces. The proposed mechanism indicates small differences between the removal mechanisms of the drugs. Ivermectin is adsorbed via electrostatic, dipole–dipole, hydrogen bonding, and π-π interactions. At the same time, diclofenac potassium is removed via electrostatic, π-π EDA interactions, n-π interactions, hydrogen bonding, and conventional π-π interactions. The physically activated biochar functionalized exhibited maximum adsorption capacities of 49.2 mg g⁻¹ and 46.6 mg g⁻¹ for diclofenac (DCF) and ivermectin (IVM), respectively. At an initial concentration of 50 mg L⁻¹, removal efficiencies of approximately 70% for DCF and 55% for IVM were achieved. The findings provide an in-depth understanding of the adsorption process on functionalized biochar, highlighting its potential for efficient drug removal from wastewater and contributing to the development of sustainable and optimized adsorbent materials.

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来源期刊

Water, Air, & Soil Pollution 环境科学-环境科学

CiteScore

4.50

自引率

6.90%

发文量

448

审稿时长

2.6 months

期刊介绍： Water, Air, & Soil Pollution is an international, interdisciplinary journal on all aspects of pollution and solutions to pollution in the biosphere. This includes chemical, physical and biological processes affecting flora, fauna, water, air and soil in relation to environmental pollution. Because of its scope, the subject areas are diverse and include all aspects of pollution sources, transport, deposition, accumulation, acid precipitation, atmospheric pollution, metals, aquatic pollution including marine pollution and ground water, waste water, pesticides, soil pollution, sewage, sediment pollution, forestry pollution, effects of pollutants on humans, vegetation, fish, aquatic species, micro-organisms, and animals, environmental and molecular toxicology applied to pollution research, biosensors, global and climate change, ecological implications of pollution and pollution models. Water, Air, & Soil Pollution also publishes manuscripts on novel methods used in the study of environmental pollutants, environmental toxicology, environmental biology, novel environmental engineering related to pollution, biodiversity as influenced by pollution, novel environmental biotechnology as applied to pollution (e.g. bioremediation), environmental modelling and biorestoration of polluted environments. Articles should not be submitted that are of local interest only and do not advance international knowledge in environmental pollution and solutions to pollution. Articles that simply replicate known knowledge or techniques while researching a local pollution problem will normally be rejected without review. Submitted articles must have up-to-date references, employ the correct experimental replication and statistical analysis, where needed and contain a significant contribution to new knowledge. The publishing and editorial team sincerely appreciate your cooperation. Water, Air, & Soil Pollution publishes research papers; review articles; mini-reviews; and book reviews.